TDR Targets

Basic information

Technical information

Name: Unnamed compound
MW: 253.317 | Formula: C12H15NO3S
H donors: 0 H acceptors: 2 LogP: 1.12 Rotable bonds: 3
Rule of 5 violations (Lipinski): 1
SMILES: O=S(=O)(N1CCOCC1)/C=C\c1ccccc1
InChi: 1S/C12H15NO3S/c14-17(15,13-7-9-16-10-8-13)11-6-12-4-2-1-3-5-12/h1-6,11H,7-10H2/b11-6-
InChiKey: RDTYOSMNVSOCAV-WDZFZDKYSA-N

Network

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Target Layer

Model Organisms

Species	Viewmode
Arabidopsis thaliana
Caenorhabditis elegans
Dictyostelium discoideum
Drosophila melanogaster
Escherichia coli
Homo sapiens
Mus musculus
Oryza sativa
Saccharomyces cerevisiae
Schmidtea mediterranea
Other organisms

TDR Pathogens:

Species	Viewmode
Brugia malayi
Chlamydia trachomatis
Echinococcus granulosus
Entamoeba histolytica
Echinococcus multilocularis
Giardia lamblia
Leishmania major
Loa Loa (eye worm)
Mycobacterium leprae
Mycobacterium tuberculosis
Mycobacterium ulcerans
Onchocerca volvulus
Plasmodium falciparum
Plasmodium vivax
Schistosoma mansoni
Trypanosoma brucei
Trypanosoma cruzi
Toxoplasma gondii
Treponema pallidum
Trichomonas vaginalis
Wolbachia endosymbiont of Brugia malayi

Other Pathogens:

Species	Viewmode
Babesia bovis
Candida albicans
Cryptosporidium hominis
Cryptosporidium parvum
Leishmania braziliensis
Leishmania donovani
Leishmania infantum
Leishmania mexicana
Neospora caninum
Plasmodium berghei
Plasmodium knowlesi
Plasmodium yoelii
Schistosoma japonicum
Trypanosoma brucei gambiense
Trypanosoma congolense
Theileria parva

Compound Layer

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Clustering layers

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Synonyms

No synonyms found for this compound

Targets

Known targets for this compound

No curated genes were found associated with this compound

Predicted pathogen targets for this compound

By orthology

No druggable targets predicted by orthology data

By sequence similarity to non orthologous known druggable targets

No druggable targets predicted by sequence similarity

Ranking Plot

Putative Targets List

Species	Potential target	Raw	Global	Species
Brugia malayi	ecdysteroid receptor	0.0166	0.1859	0.3727
Echinococcus multilocularis	protein patched	0.0088	0.0758	0.1974
Brugia malayi	GTP-binding regulatory protein Gs alpha-S chain, putative	0.0055	0.0301	0.0604
Trichomonas vaginalis	3-oxo-5-alpha-steroid 4-dehydrogenase, putative	0.0389	0.4987	1
Echinococcus multilocularis	tar DNA binding protein	0.0061	0.0389	0.0941
Echinococcus multilocularis	solute carrier family 2, facilitated glucose	0.0104	0.0991	0.2625
Trichomonas vaginalis	conserved hypothetical protein	0.0128	0.1324	0.1338
Echinococcus granulosus	solute carrier family 2 facilitated glucose	0.0104	0.0991	0.2625
Brugia malayi	bHLH-PAS transcription factor	0.0037	0.0052	0.0104
Echinococcus granulosus	solute carrier family 2 facilitated glucose	0.0104	0.0991	0.2625
Echinococcus multilocularis	Niemann Pick C1 protein	0.0205	0.2398	0.6556
Loa Loa (eye worm)	hypothetical protein	0.0036	0.0036	0.0072
Echinococcus granulosus	aldehyde dehydrogenase mitochondrial	0.0063	0.0413	0.1009
Schistosoma mansoni	hypothetical protein	0.0043	0.0136	0.0555
Loa Loa (eye worm)	hypothetical protein	0.017	0.191	0.3831
Echinococcus granulosus	guanine nucleotide binding protein Gs subunit	0.0055	0.0301	0.0696
Schistosoma mansoni	aldehyde dehydrogenase	0.0063	0.0413	0.1691
Trichomonas vaginalis	3-oxo-5-alpha-steroid 4-dehydrogenase, putative	0.0389	0.4987	1
Loa Loa (eye worm)	GTP-binding regulatory protein Gs alpha-S chain	0.0055	0.0301	0.0604
Loa Loa (eye worm)	hypothetical protein	0.0036	0.0036	0.0072
Echinococcus granulosus	tar DNA binding protein	0.0061	0.0389	0.0941
Brugia malayi	RNA binding protein	0.0061	0.0389	0.0779
Mycobacterium leprae	POSSIBLE FATTY ACID SYNTHASE	0.0036	0.0036	0.5
Trichomonas vaginalis	synaptic glycoprotein sc2, putative	0.0128	0.1324	0.1338
Schistosoma mansoni	glucose transport protein	0.0104	0.0991	0.4058
Schistosoma mansoni	transcription factor LCR-F1	0.0043	0.0136	0.0555
Schistosoma mansoni	aldehyde dehydrogenase	0.0063	0.0413	0.1691
Onchocerca volvulus		0.0128	0.1324	0.7068
Schistosoma mansoni	glucose transport protein	0.0104	0.0991	0.4058
Brugia malayi	CHE-14 protein	0.0088	0.0758	0.1521
Mycobacterium ulcerans	hypothetical protein	0.0389	0.4987	1
Echinococcus multilocularis	protein dispatched 1	0.01	0.0933	0.2461
Schistosoma mansoni	hypothetical protein	0.0205	0.2398	0.9816
Echinococcus multilocularis	sterol regulatory element binding protein	0.0088	0.0758	0.1974
Trichomonas vaginalis	3-oxo-5-alpha-steroid 4-dehydrogenase, putative	0.0389	0.4987	1
Echinococcus granulosus	sterol regulatory element binding protein	0.0088	0.0758	0.1974
Echinococcus multilocularis	guanine nucleotide binding protein G(s) subunit	0.0055	0.0301	0.0696
Schistosoma mansoni	tar DNA-binding protein	0.0061	0.0389	0.1591
Schistosoma mansoni	hypothetical protein	0.0205	0.2398	0.9816
Echinococcus multilocularis	aldehyde dehydrogenase, mitochondrial	0.0063	0.0413	0.1009
Brugia malayi	Niemann-Pick C1 protein precursor	0.0205	0.2398	0.4809
Brugia malayi	3-oxo-5-alpha-steroid 4-dehydrogenase 1	0.0389	0.4987	1
Brugia malayi	PAS domain containing protein	0.0051	0.0237	0.0475
Trichomonas vaginalis	synaptic glycoprotein sc2, putative	0.0128	0.1324	0.1338
Brugia malayi	RNA recognition motif domain containing protein	0.0061	0.0389	0.0779
Echinococcus multilocularis	solute carrier family 2 facilitated glucose	0.0104	0.0991	0.2625
Trichomonas vaginalis	3-oxo-5-alpha-steroid 4-dehydrogenase, putative	0.0128	0.1324	0.1338
Mycobacterium ulcerans	putative regulatory protein	0.0037	0.0052	0.0032
Brugia malayi	hypothetical protein	0.0043	0.0136	0.0272
Mycobacterium ulcerans	aldehyde dehydrogenase	0.0063	0.0413	0.0761
Echinococcus granulosus	solute carrier family 2 facilitated glucose	0.0104	0.0991	0.2625
Plasmodium vivax	polyprenol reductase, putative	0.0128	0.1324	1
Schistosoma mansoni	Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein)	0.0055	0.0301	0.1233
Brugia malayi	Corticotropin releasing factor receptor 2 precursor, putative	0.0049	0.0219	0.044
Brugia malayi	hypothetical protein	0.017	0.191	0.3831
Loa Loa (eye worm)	abnormal chemotaxis protein 14	0.0088	0.0758	0.1521
Mycobacterium tuberculosis	Probable aldehyde dehydrogenase	0.0063	0.0413	1
Brugia malayi	Sugar transporter family protein	0.0104	0.0991	0.1988
Mycobacterium leprae	METHOXY MYCOLIC ACID SYNTHASE 4 MMAA4 (METHYL MYCOLIC ACID SYNTHASE 4) (MMA4) (HYDROXY MYCOLIC ACID SYNTHASE)	0.0036	0.0036	0.5
Loa Loa (eye worm)	hypothetical protein	0.0088	0.0758	0.1521
Echinococcus multilocularis	Basic leucine zipper (bZIP) transcription	0.0043	0.0136	0.0234
Trichomonas vaginalis	conserved hypothetical protein	0.0104	0.0991	0.055
Loa Loa (eye worm)	hypothetical protein	0.0166	0.1859	0.3727
Schistosoma mansoni	synaptic glycoprotein sc2 related	0.0128	0.1324	0.5422
Loa Loa (eye worm)	hypothetical protein	0.0108	0.1036	0.2077
Trichomonas vaginalis	synaptic glycoprotein sc2, putative	0.0128	0.1324	0.1338
Schistosoma mansoni	hypothetical protein	0.0104	0.0991	0.4058
Mycobacterium leprae	CYCLOPROPANE-FATTY-ACYL-PHOSPHOLIPID SYNTHASE 2 CMAA2 (CYCLOPROPANE FATTY ACID SYNTHASE) (CFA SYNTHASE) (CYCLOPROPANE MYCOLIC AC	0.0036	0.0036	0.5
Echinococcus granulosus	Niemann Pick C1 protein	0.0205	0.2398	0.6556
Mycobacterium ulcerans	aldehyde dehydrogenase	0.0063	0.0413	0.0761
Brugia malayi	Calcitonin receptor-like protein seb-1	0.0049	0.0219	0.044
Onchocerca volvulus		0.0037	0.0052	0.0087
Trichomonas vaginalis	conserved hypothetical protein	0.0128	0.1324	0.1338
Schistosoma mansoni	hypothetical protein	0.0085	0.0714	0.2923
Trypanosoma brucei	3-oxo-5-alpha-steroid 4-dehydrogenase-like, putative	0.0389	0.4987	0.4222
Trypanosoma brucei	Sterol methyltransferase, putative	0.0746	1	1
Schistosoma mansoni	hypothetical protein	0.0085	0.0714	0.2923
Schistosoma mansoni	synaptic glycoprotein sc2 related	0.0128	0.1324	0.5422
Toxoplasma gondii	3-oxo-5-alpha-steroid 4-dehydrogenase	0.0128	0.1324	0.1992
Entamoeba histolytica	trans-2,3-enoyl-CoA reductase, putative	0.0128	0.1324	0.245
Loa Loa (eye worm)	TAR-binding protein	0.0061	0.0389	0.0779
Toxoplasma gondii	3-oxo-5-alpha-steroid 4-dehydrogenase	0.0128	0.1324	0.1992
Mycobacterium leprae	MYCOLIC ACID SYNTHASE PCAA (CYCLOPROPANE SYNTHASE)	0.0036	0.0036	0.5
Loa Loa (eye worm)	hypothetical protein	0.0049	0.0219	0.044
Echinococcus granulosus	guanine nucleotide binding protein Gs subunit	0.0055	0.0301	0.0696
Schistosoma mansoni	single-minded	0.0051	0.0237	0.0969
Trypanosoma brucei	sterol 24-c-methyltransferase, putative	0.0746	1	1
Plasmodium falciparum	polyprenol reductase, putative	0.0128	0.1324	1
Onchocerca volvulus	Bile acid receptor homolog	0.0166	0.1859	1
Loa Loa (eye worm)	hypoxia-induced factor 1	0.0157	0.1726	0.346
Loa Loa (eye worm)	hypothetical protein	0.0364	0.463	0.9285
Brugia malayi	S-adenosyl-methionine cycloartenol-C24-methyltransferase	0.0364	0.463	0.9285
Echinococcus granulosus	Basic leucine zipper bZIP transcription	0.0043	0.0136	0.0234
Entamoeba histolytica	hypothetical protein	0.0128	0.1324	0.245
Leishmania major	sterol 24-c-methyltransferase, putative	0.0746	1	1
Echinococcus granulosus	Niemann Pick C1 protein	0.0292	0.3631	1
Loa Loa (eye worm)	hypothetical protein	0.0128	0.1324	0.2656
Plasmodium falciparum	3-oxo-5-alpha-steroid 4-dehydrogenase, putative	0.0128	0.1324	1
Loa Loa (eye worm)	hypothetical protein	0.0036	0.0036	0.0072
Trypanosoma cruzi	3-oxo-5-alpha-steroid 4-dehydrogenase, putative	0.0389	0.4987	0.4969
Echinococcus multilocularis	3 oxo 5 alpha steroid 4 dehydrogenase, C terminal	0.0128	0.1324	0.3555
Trypanosoma cruzi	3-oxo-5-alpha-steroid 4-dehydrogenase, putative	0.0128	0.1324	0.1293
Echinococcus granulosus	Protein patched homolog 1	0.0088	0.0758	0.1974
Echinococcus multilocularis	solute carrier family 2 facilitated glucose	0.0104	0.0991	0.2625
Brugia malayi	hypoxia-induced factor 1	0.0157	0.1726	0.346
Brugia malayi	TAR-binding protein	0.0061	0.0389	0.0779
Echinococcus multilocularis	geminin	0.0205	0.2398	0.6555
Loa Loa (eye worm)	sugar transporter	0.0104	0.0991	0.1988
Loa Loa (eye worm)	RNA recognition domain-containing protein domain-containing protein	0.0061	0.0389	0.0779
Loa Loa (eye worm)	hypothetical protein	0.0205	0.2398	0.4809
Mycobacterium ulcerans	aldehyde dehydrogenase	0.0063	0.0413	0.0761
Schistosoma mansoni	tar DNA-binding protein	0.0061	0.0389	0.1591
Schistosoma mansoni	Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein)	0.0055	0.0301	0.1233
Giardia lamblia	Synaptic glycoprotein SC2	0.0128	0.1324	0.5
Toxoplasma gondii	facilitative glucose transporter GT1	0.0104	0.0991	0.1264
Loa Loa (eye worm)	RNA binding protein	0.0061	0.0389	0.0779
Trypanosoma cruzi	3-oxo-5-alpha-steroid 4-dehydrogenase, putative	0.0389	0.4987	0.4969
Schistosoma mansoni	aryl hydrocarbon receptor	0.0051	0.0237	0.0969
Schistosoma mansoni	tar DNA-binding protein	0.0061	0.0389	0.1591
Entamoeba histolytica	steroid 5-alpha reductase, putative	0.0389	0.4987	1
Schistosoma mansoni	hypothetical protein	0.0085	0.0714	0.2923
Mycobacterium leprae	METHOXY MYCOLIC ACID SYNTHASE 1 MMAA1 (METHYL MYCOLIC ACID SYNTHASE 1) (MMA1) (HYDROXY MYCOLIC ACID SYNTHASE)	0.0036	0.0036	0.5
Schistosoma mansoni	tar DNA-binding protein	0.0061	0.0389	0.1591
Trypanosoma brucei	sterol 24-c-methyltransferase, putative	0.0746	1	1
Loa Loa (eye worm)	hypothetical protein	0.0389	0.4987	1
Plasmodium vivax	3-oxo-5-alpha-steroid 4-dehydrogenase, putative	0.0128	0.1324	1
Trypanosoma cruzi	sterol 24-c-methyltransferase, putative	0.0746	1	1
Echinococcus granulosus	expressed conserved protein	0.0192	0.2224	0.6069
Echinococcus multilocularis	General substrate transporter	0.009	0.0785	0.2049
Echinococcus multilocularis	Niemann Pick C1 protein	0.0292	0.3631	1
Trypanosoma cruzi	sterol 24-c-methyltransferase, putative	0.0746	1	1
Loa Loa (eye worm)	hypothetical protein	0.0128	0.1324	0.2656
Entamoeba histolytica	3-oxo-5-alpha-steroid 4-dehydrogenase domain-containing protein	0.0128	0.1324	0.245
Echinococcus granulosus	solute carrier family 2 facilitated glucose	0.0104	0.0991	0.2625
Echinococcus granulosus	geminin	0.0205	0.2398	0.6555
Brugia malayi	Synaptic glycoprotein SC2	0.0128	0.1324	0.2656
Schistosoma mansoni	hypothetical protein	0.0085	0.0714	0.2923
Echinococcus multilocularis	expressed conserved protein	0.0192	0.2224	0.6069
Echinococcus multilocularis	synaptic glycoprotein sc2	0.0128	0.1324	0.3555
Trypanosoma cruzi	sterol 24-c-methyltransferase, putative	0.0746	1	1
Echinococcus multilocularis	solute carrier family 2 facilitated glucose	0.0104	0.0991	0.2625
Trypanosoma brucei	sterol 24-c-methyltransferase, putative	0.0389	0.4988	0.4223
Loa Loa (eye worm)	pigment dispersing factor receptor c	0.0049	0.0219	0.044
Toxoplasma gondii	3-oxo-5-alpha-steroid 4-dehydrogenase	0.0389	0.4987	1
Entamoeba histolytica	Niemann-Pick C1 protein, putative	0.0205	0.2398	0.4664
Echinococcus multilocularis	guanine nucleotide binding protein G(s) subunit	0.0055	0.0301	0.0696
Echinococcus granulosus	3 oxo 5 alpha steroid 4 dehydrogenase C terminal	0.0128	0.1324	0.3555
Schistosoma mansoni	glucose transport protein	0.0104	0.0991	0.4058
Leishmania major	3-oxo-5-alpha-steroid 4-dehydrogenase-like protein	0.0389	0.4987	0.4771
Echinococcus granulosus	General substrate transporter	0.009	0.0785	0.2049
Schistosoma mansoni	Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein)	0.0055	0.0301	0.1233
Schistosoma mansoni	tar DNA-binding protein	0.0061	0.0389	0.1591
Schistosoma mansoni	patched 1	0.0088	0.0758	0.3105
Echinococcus granulosus	synaptic glycoprotein sc2	0.0128	0.1324	0.3555
Schistosoma mansoni	niemann-pick C1 (NPC1)	0.0208	0.2443	1

Activities

Activity type	Activity value	Assay description	Source	Reference
EC50 (functional)	= 500 uM	Effective concentration of compound necessary to kill 50% of infective larvae of M. dessetae after 7 days was determined in vitro; Value ranges from 100-500	ChEMBL.	3681893
EC90 (functional)	> 500 uM	Effective in vitro concentration necessary to kill 90% of infective larvae of M. dessetae after 7 days	ChEMBL.	3681893

Phenotypes

Whole-cell/tissue/organism interactions

We have no records of whole-cell/tissue assays done with this compound What does this mean?

Many chemical entities in TDR Targets come from high-throughput screenings with whole cells or tissue samples, and not all assayed compounds have been tested against a single a single target protein, probably because they get ruled out during screening process. Even if these compounds may have not been of interest in the original screening, they may come as interesting leads for other screening assays. Furthermore, we may be able to propose drug-target associations using chemical similarities and network patterns.

Annotated phenotypes:

We have no manually annotated phenotypes for this drug. What does this mean? / Care to help?

In TDR Targets, information about phenotypes that are caused by drugs, or by genetic manipulation of cells (e.g. gene knockouts or knockdowns) is manually curated from the literature. These descriptions help to describe the potential of the target for drug development. If no information is available for this gene or if the information is incomplete, this may mean that i) the papers containing this information either appeared after the curation effort for this organism was carried out or they were inadvertently missed by curators; or that ii) the curation effort for this organism has not yet started.

In any case, if you have information about papers containing relevant validation data for this target, please log in using your TDR Targets username and password and send them to us using the corresponding form in this page (only visible to registered users) or contact us.

External resources for this compound

No external resources registered for this compound

Bibliographic References

1 literature reference was collected for this gene.

If you have references for this compound, please enter them in a user comment (below) or Contact us.

Detailed information for compound 116942